Chemical ID: 5515085

COc1ccc(cc1)N=C2N(C(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2)c4ccc(cc4)OC
Chemical ID:
5515085
Name [?]:
3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N=C2N(C(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2)c4ccc(cc4)OC
InChi [?]:
InChI=1/C27H26N2O6S/c1-31-20-10-6-18(7-11-20)28-27-29(19-8-12-21(32-2)13-9-19)26(30)24(36-27)16-17-14-22(33-3)25(35-5)23(15-17)34-4/h6-16H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,36,23,27,25,5,7,30,34,4,8,31,33,21,17,15,16,6,29,3,32,20,18,14,19,12,10,9,11,13,2,35,22,26,24,28/E:(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(22,23)(33,34)/rA:36nCOCCCCCCNCNCOCCCCCCCCOCOCOCSCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s18;s26;s10s14;s11;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H26N2O6S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:7.25475
Area:663.544
Solvation:-9.33384
Coulombic:-59.2407
Bond Count [?]
All:39
Single:27
Double:12
Rotors:8
Chiral:2
Rigid Segments:9
Chemical Properties
Molecular Weight:506.571
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.97
LogP (Chemaxon):5.02

Name Annotations

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Descriptor Annotations

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